General Information of the Compound
| Compound ID |
CP0241747
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| Compound Name |
2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C18H15N3O2S
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| Molecular Weight |
337.404
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| Canonical SMILES |
COc1ccc2nc(sc2c1)-n1[nH]c(C)c(-c2ccccc2)c1=O
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| InChI |
InChI=1S/C18H15N3O2S/c1-11-16(12-6-4-3-5-7-12)17(22)21(20-11)18-19-14-9-8-13(23-2)10-15(14)24-18/h3-10,20H,1-2H3
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| InChIKey |
RALCRXDVOUCQCT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound